4-Fluoro-2,3-dihydro-2-methyl-7-nitro-1H-isoindol-1-one - CAS 881415-06-1

Catalog:	BB065287
Product Name:	4-Fluoro-2,3-dihydro-2-methyl-7-nitro-1H-isoindol-1-one
CAS:	881415-06-1
Synonyms:	4-Fluoro-2-methyl-7-nitroisoindolin-1-one; 4-fluoro-2-methyl-7-nitro-3H-isoindol-1-one; 4-fluoro-2-methyl-7-nitro-2,3-dihydro-isoindol-1-one

Technical Data

IUPAC Name:	4-fluoro-2-methyl-7-nitro-3H-isoindol-1-one
Description:	4-Fluoro-2,3-dihydro-2-methyl-7-nitro-1H-isoindol-1-one was used in the study for preparation of pyrimidine compounds as FAK and/or ALK inhibitors for treatment of tumor, osteosarcomas, etc.
Molecular Weight:	210.16
Molecular Formula:	C9H7FN2O3
Canonical SMILES:	CN1CC2=C(C=CC(=C2C1=O)[N+](=O)[O-])F
InChI:	InChI=1S/C9H7FN2O3/c1-11-4-5-6(10)2-3-7(12(14)15)8(5)9(11)13/h2-3H,4H2,1H3
InChI Key:	FDPGIGBGDHNFDF-UHFFFAOYSA-N
References:	Kawahara, E., et al. PCT Int. Appl. (2006), WO 2006021457 A2 20060302..

Complexity:	304
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	210.04407025
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	210.04407025
Rotatable Bond Count:	0
Topological Polar Surface Area:	66.1Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.9